methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate

C18H24N2O5 — CID 26401829

IUPACmethyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CC(=O)N(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C18H24N2O5/c1-13-11-19(16(21)8-5-9-18(23)25-3)12-17(22)20(13)14-6-4-7-15(10-14)24-2/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyRFCUIGNMSOPJSV-ZDUSSCGKSA-N
MW348.40 g/mol
LogP1.60
Rot. Bonds6

About methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate

methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate (PubChem CID 26401829) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
PubChem CID26401829
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CC(=O)N(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C18H24N2O5/c1-13-11-19(16(21)8-5-9-18(23)25-3)12-17(22)20(13)14-6-4-7-15(10-14)24-2/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyRFCUIGNMSOPJSV-ZDUSSCGKSA-N
XLogP1.60
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate with MolForge

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Related Compounds

(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 42429759
(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751
(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330746
(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 26325845
(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 125173408
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
methyl 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-5-oxopentanoate
CID 75500939
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate (CID 26401829) is methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CC(=O)N(c2cccc(OC)c2)[C@@H](C)C1.
What is the InChIKey of methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate?
The InChIKey is RFCUIGNMSOPJSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13-11-19(16(21)8-5-9-18(23)25-3)12-17(22)20(13)14-6-4-7-15(10-14)24-2/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate?
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate has a molecular weight of 348.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 26401829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).